2-[6-[2-(pyridin-2-ylamino)ethylcarbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanoic acid

Systemtic Name: 2-[6-[2-(pyridin-2-ylamino)ethylcarbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanoic acid Openeye Name: 2-[6-[2-(2-pyridylamino)ethylcarbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid CAS Name: 2-[6-[oxo-[2-(2-pyridinylamino)ethylamino]methyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid IUPAC Name: 2-[6-[2-(pyridin-2-ylamino)ethylcarbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid Traditional Name: 2-[6-[2-(2-pyridylamino)ethylcarbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid Formula: C19H22N4O3 MolecularWeight: 354.40298

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=C(C=C2)C(=O)NCCNC3=CC=CC=N3)CC(=O)O

Isomeric SMILES

C1CN(CC2=C1C=C(C=C2)C(=O)NCCNC3=CC=CC=N3)CC(=O)O

InChI

InChI=1S/C19H22N4O3/c24-18(25)13-23-10-6-14-11-15(4-5-16(14)12-23)19(26)22-9-8-21-17-3-1-2-7-20-17/h1-5,7,11H,6,8-10,12-13H2,(H,20,21)(H,22,26)(H,24,25)